[7-chloranyl-5-(cyclopropylmethoxy)-3-ethyl-5-(trifluoromethyl)-4H-1,3-benzodiazepin-2-yl]cyanamide

Systemtic Name: [7-chloranyl-5-(cyclopropylmethoxy)-3-ethyl-5-(trifluoromethyl)-4H-1,3-benzodiazepin-2-yl]cyanamide Openeye Name: [7-chloro-5-(cyclopropylmethoxy)-3-ethyl-5-(trifluoromethyl)-4H-1,3-benzodiazepin-2-yl]cyanamide CAS Name: [7-chloro-5-(cyclopropylmethoxy)-3-ethyl-5-(trifluoromethyl)-4H-1,3-benzodiazepin-2-yl]cyanamide IUPAC Name: [7-chloro-5-(cyclopropylmethoxy)-3-ethyl-5-(trifluoromethyl)-4H-1,3-benzodiazepin-2-yl]cyanamide Traditional Name: [7-chloro-5-(cyclopropylmethoxy)-3-ethyl-5-(trifluoromethyl)-4H-1,3-benzodiazepin-2-yl]cyanamide Formula: C17H18ClF3N4O MolecularWeight: 386.79923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C2=C(C=CC(=C2)Cl)N=C1NC#N)(C(F)(F)F)OCC3CC3

Isomeric SMILES

CCN1CC(C2=C(C=CC(=C2)Cl)N=C1NC#N)(C(F)(F)F)OCC3CC3

InChI

InChI=1S/C17H18ClF3N4O/c1-2-25-9-16(17(19,20)21,26-8-11-3-4-11)13-7-12(18)5-6-14(13)24-15(25)23-10-22/h5-7,11H,2-4,8-9H2,1H3,(H,23,24)